metal-organic compounds
Disodium 4,4′-oxydibenzoate
aSchool of Physics and Chemistry, Guizhou Normal University, Guiyang, Guizhou 550001, People's Republic of China, bCollege of Chemistry, Beijing Normal University, Beijing 100875, People's Republic of China, and cDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
*Correspondence e-mail: seikweng@um.edu.my
The +·C14H8O52−, consists of alternating layers of sodium cations and 4,4′-oxydibenzoate anions; the layers are perpendicular to the a axis, with the distance between the layers of cations (or anions) being half this axial length. The Na atoms are disordered over three sites [occupancies 0.775 (4), 0.781 (6) 0.444 (6)].
of the title compound, 2NaExperimental
Crystal data
|
Data collection: APEX2 (Bruker, 2007); cell SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2008).
Supporting information
10.1107/S1600536808024331/bt2752sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536808024331/bt2752Isup2.hkl
Betaine (0.047 g, 0.4 mmol), 4,4'-oxybis(benzoic acid) (0.103 g, 0.4 mmol) and guanidine hydrochloride (0.076 g, 0.8 mmol) were mixed in a molar ratio 1:1:2. The mixture was dissolved in mixture of ethanol (4 ml), 1 M sodium hydroxide (0.5 ml) and water (0.5 ml). Colorless crystals were obtained after about 10 days.
The Na1, Na2 and Na3 atoms were refined such that the total occupancy is two.
Carbon bound H-atoms were placed in calculated positions (C—H 0.93 Å) and were included in the
in the riding model approximation, with Uiso(H) 1.2Ueq(C).Friedel pairs were merged as there are no anomalous scatterers.
Data collection: APEX2 (Bruker, 2007); cell
SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2008).2Na+·C14H8O52− | F(000) = 616 |
Mr = 302.18 | Dx = 1.562 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
a = 29.1091 (4) Å | Cell parameters from 4314 reflections |
b = 5.7801 (1) Å | θ = 4.0–27.5° |
c = 7.6429 (1) Å | µ = 0.18 mm−1 |
β = 92.4420 (1)° | T = 295 K |
V = 1284.78 (3) Å3 | Block, colorless |
Z = 4 | 0.5 × 0.4 × 0.2 mm |
Bruker SMART APEXII diffractometer | 1471 independent reflections |
Radiation source: fine-focus sealed tube | 1464 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.015 |
ϕ and ω scans | θmax = 27.5°, θmin = 4.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −37→37 |
Tmin = 0.888, Tmax = 1.000 | k = −7→7 |
5002 measured reflections | l = −9→9 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.042 | H-atom parameters constrained |
wR(F2) = 0.135 | w = 1/[σ2(Fo2) + (0.0883P)2 + 0.9438P] where P = (Fo2 + 2Fc2)/3 |
S = 1.27 | (Δ/σ)max = 0.001 |
1471 reflections | Δρmax = 0.79 e Å−3 |
203 parameters | Δρmin = −0.27 e Å−3 |
3 restraints | Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.024 (4) |
2Na+·C14H8O52− | V = 1284.78 (3) Å3 |
Mr = 302.18 | Z = 4 |
Monoclinic, Cc | Mo Kα radiation |
a = 29.1091 (4) Å | µ = 0.18 mm−1 |
b = 5.7801 (1) Å | T = 295 K |
c = 7.6429 (1) Å | 0.5 × 0.4 × 0.2 mm |
β = 92.4420 (1)° |
Bruker SMART APEXII diffractometer | 1471 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 1464 reflections with I > 2σ(I) |
Tmin = 0.888, Tmax = 1.000 | Rint = 0.015 |
5002 measured reflections |
R[F2 > 2σ(F2)] = 0.042 | 3 restraints |
wR(F2) = 0.135 | H-atom parameters constrained |
S = 1.27 | Δρmax = 0.79 e Å−3 |
1471 reflections | Δρmin = −0.27 e Å−3 |
203 parameters |
Experimental. A somewhat large crystal was used in the measurements, but this does not seem to have an adverse efffect on the quality of the diffraction data. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Na1 | 0.50001 (5) | 0.1573 (3) | 0.50001 (18) | 0.0119 (4) | 0.775 (4) |
Na2 | 0.44106 (5) | 0.3880 (3) | 0.84063 (18) | 0.0113 (5) | 0.781 (6) |
Na3 | 0.47490 (10) | 0.7168 (5) | 0.7153 (4) | 0.0147 (9) | 0.444 (6) |
O1 | 0.53701 (10) | 0.4833 (5) | 0.9932 (4) | 0.0273 (6) | |
O2 | 0.51425 (9) | 0.1864 (5) | 0.8264 (4) | 0.0243 (6) | |
O3 | 0.91491 (10) | 0.5648 (5) | 0.9768 (4) | 0.0279 (6) | |
O4 | 0.92132 (9) | 0.1917 (5) | 1.0487 (4) | 0.0249 (6) | |
O5 | 0.72485 (10) | 0.1735 (6) | 0.6575 (4) | 0.0338 (7) | |
C1 | 0.54493 (12) | 0.3222 (6) | 0.8891 (5) | 0.0199 (7) | |
C2 | 0.59376 (12) | 0.2835 (6) | 0.8364 (4) | 0.0199 (7) | |
C3 | 0.60419 (13) | 0.0883 (6) | 0.7386 (5) | 0.0234 (7) | |
H3 | 0.5812 | −0.0182 | 0.7088 | 0.028* | |
C4 | 0.64896 (13) | 0.0513 (7) | 0.6849 (5) | 0.0250 (7) | |
H4 | 0.6559 | −0.0793 | 0.6201 | 0.030* | |
C5 | 0.68284 (12) | 0.2121 (7) | 0.7296 (5) | 0.0230 (7) | |
C6 | 0.67343 (13) | 0.4048 (7) | 0.8307 (5) | 0.0251 (8) | |
H6 | 0.6966 | 0.5089 | 0.8634 | 0.030* | |
C7 | 0.62823 (12) | 0.4391 (7) | 0.8825 (5) | 0.0228 (7) | |
H7 | 0.6214 | 0.5685 | 0.9488 | 0.027* | |
C8 | 0.76546 (12) | 0.2304 (8) | 0.7501 (5) | 0.0261 (8) | |
C9 | 0.78630 (13) | 0.0650 (7) | 0.8574 (5) | 0.0266 (8) | |
H9 | 0.7713 | −0.0733 | 0.8792 | 0.032* | |
C10 | 0.82982 (14) | 0.1068 (7) | 0.9322 (5) | 0.0248 (7) | |
H10 | 0.8442 | −0.0052 | 1.0026 | 0.030* | |
C11 | 0.85196 (11) | 0.3161 (6) | 0.9022 (4) | 0.0194 (7) | |
C12 | 0.82984 (13) | 0.4838 (7) | 0.7983 (5) | 0.0243 (7) | |
H12 | 0.8440 | 0.6256 | 0.7813 | 0.029* | |
C13 | 0.78638 (13) | 0.4407 (7) | 0.7192 (5) | 0.0264 (7) | |
H13 | 0.7719 | 0.5509 | 0.6475 | 0.032* | |
C14 | 0.89941 (12) | 0.3616 (6) | 0.9821 (5) | 0.0200 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Na1 | 0.0114 (7) | 0.0098 (7) | 0.0144 (7) | 0.0005 (5) | −0.0009 (5) | −0.0005 (5) |
Na2 | 0.0119 (8) | 0.0094 (7) | 0.0127 (8) | −0.0011 (5) | 0.0003 (5) | 0.0001 (5) |
Na3 | 0.0169 (14) | 0.0144 (15) | 0.0127 (14) | 0.0013 (10) | 0.0008 (10) | −0.0004 (10) |
O1 | 0.0230 (11) | 0.0294 (14) | 0.0299 (15) | 0.0020 (11) | 0.0043 (10) | −0.0037 (11) |
O2 | 0.0183 (11) | 0.0254 (13) | 0.0293 (13) | −0.0020 (9) | 0.0007 (10) | 0.0005 (10) |
O3 | 0.0262 (13) | 0.0292 (15) | 0.0282 (14) | −0.0081 (11) | −0.0015 (11) | 0.0009 (11) |
O4 | 0.0209 (12) | 0.0281 (13) | 0.0254 (13) | 0.0042 (10) | −0.0017 (10) | 0.0008 (10) |
O5 | 0.0171 (12) | 0.056 (2) | 0.0288 (14) | −0.0011 (12) | 0.0005 (10) | −0.0141 (13) |
C1 | 0.0181 (15) | 0.0215 (15) | 0.0200 (15) | 0.0019 (12) | 0.0015 (12) | 0.0039 (12) |
C2 | 0.0165 (15) | 0.0228 (16) | 0.0204 (15) | 0.0011 (12) | −0.0006 (12) | 0.0030 (12) |
C3 | 0.0187 (16) | 0.0241 (17) | 0.0274 (18) | −0.0015 (13) | 0.0007 (13) | −0.0029 (13) |
C4 | 0.0223 (17) | 0.0260 (17) | 0.0267 (17) | 0.0035 (15) | 0.0008 (13) | −0.0051 (14) |
C5 | 0.0179 (16) | 0.0299 (17) | 0.0211 (15) | 0.0015 (13) | 0.0003 (12) | −0.0001 (13) |
C6 | 0.0174 (16) | 0.0290 (19) | 0.0287 (17) | −0.0044 (13) | −0.0014 (13) | −0.0039 (15) |
C7 | 0.0226 (17) | 0.0217 (16) | 0.0243 (17) | −0.0001 (13) | 0.0016 (13) | −0.0034 (12) |
C8 | 0.0159 (16) | 0.039 (2) | 0.0232 (17) | −0.0016 (14) | 0.0031 (13) | −0.0074 (15) |
C9 | 0.0227 (17) | 0.0278 (18) | 0.0294 (18) | −0.0069 (14) | 0.0037 (14) | −0.0022 (14) |
C10 | 0.0260 (18) | 0.0237 (16) | 0.0247 (17) | −0.0007 (14) | 0.0024 (13) | 0.0025 (14) |
C11 | 0.0162 (15) | 0.0232 (16) | 0.0187 (15) | 0.0003 (11) | 0.0008 (11) | −0.0018 (12) |
C12 | 0.0237 (17) | 0.0238 (17) | 0.0255 (18) | −0.0004 (13) | 0.0028 (13) | 0.0033 (13) |
C13 | 0.0210 (16) | 0.033 (2) | 0.0252 (16) | 0.0056 (15) | −0.0003 (12) | 0.0026 (15) |
C14 | 0.0188 (16) | 0.0252 (16) | 0.0162 (14) | −0.0013 (12) | 0.0023 (12) | −0.0001 (12) |
Na1—O1i | 2.342 (3) | O5—C8 | 1.391 (5) |
Na1—O2ii | 2.434 (3) | C1—C2 | 1.511 (5) |
Na1—O4iii | 2.494 (3) | C2—C7 | 1.382 (5) |
Na1—O2 | 2.517 (3) | C2—C3 | 1.394 (5) |
Na1—O3iii | 2.789 (3) | C3—C4 | 1.399 (5) |
Na2—O3iv | 2.285 (3) | C3—H3 | 0.9300 |
Na2—O4iii | 2.326 (3) | C4—C5 | 1.388 (5) |
Na2—O2 | 2.435 (3) | C4—H4 | 0.9300 |
Na2—O4v | 2.453 (3) | C5—C6 | 1.389 (6) |
O1—C1 | 1.252 (5) | C6—C7 | 1.404 (5) |
O1—Na1vi | 2.342 (3) | C6—H6 | 0.9300 |
O1—Na3vi | 2.784 (4) | C7—H7 | 0.9300 |
O2—C1 | 1.268 (4) | C8—C9 | 1.382 (6) |
O2—Na1vii | 2.434 (3) | C8—C13 | 1.384 (6) |
O3—C14 | 1.260 (5) | C9—C10 | 1.389 (5) |
O3—Na2viii | 2.285 (3) | C9—H9 | 0.9300 |
O3—Na3ix | 2.774 (4) | C10—C11 | 1.394 (5) |
O3—Na1x | 2.789 (3) | C10—H10 | 0.9300 |
O4—C14 | 1.266 (5) | C11—C12 | 1.393 (5) |
O4—Na2x | 2.326 (3) | C11—C14 | 1.509 (5) |
O4—Na2xi | 2.453 (3) | C12—C13 | 1.401 (5) |
O4—Na1x | 2.494 (3) | C12—H12 | 0.9300 |
O5—C5 | 1.381 (4) | C13—H13 | 0.9300 |
O1i—Na1—O2ii | 128.52 (12) | O2—C1—C2 | 117.6 (3) |
O1i—Na1—O4iii | 96.84 (11) | C7—C2—C3 | 119.4 (3) |
O2ii—Na1—O4iii | 123.07 (11) | C7—C2—C1 | 121.1 (3) |
O1i—Na1—O2 | 84.62 (11) | C3—C2—C1 | 119.5 (3) |
O2ii—Na1—O2 | 124.75 (10) | C2—C3—C4 | 120.5 (3) |
O4iii—Na1—O2 | 86.69 (10) | C2—C3—H3 | 119.7 |
O1i—Na1—O3iii | 144.60 (11) | C4—C3—H3 | 119.7 |
O2ii—Na1—O3iii | 76.17 (10) | C5—C4—C3 | 119.1 (3) |
O4iii—Na1—O3iii | 49.58 (9) | C5—C4—H4 | 120.4 |
O2—Na1—O3iii | 101.66 (10) | C3—C4—H4 | 120.4 |
O3iv—Na2—O4iii | 101.63 (12) | O5—C5—C4 | 115.2 (3) |
O3iv—Na2—O2 | 86.45 (11) | O5—C5—C6 | 123.4 (3) |
O4iii—Na2—O2 | 92.48 (11) | C4—C5—C6 | 121.3 (3) |
O3iv—Na2—O4v | 101.41 (12) | C5—C6—C7 | 118.6 (3) |
O4iii—Na2—O4v | 135.10 (11) | C5—C6—H6 | 120.7 |
O2—Na2—O4v | 126.93 (11) | C7—C6—H6 | 120.7 |
O2—Na2—Na3vi | 72.45 (9) | C2—C7—C6 | 121.0 (3) |
C1—O1—Na1vi | 140.4 (3) | C2—C7—H7 | 119.5 |
C1—O1—Na3vi | 102.7 (2) | C6—C7—H7 | 119.5 |
Na1vi—O1—Na3vi | 92.50 (11) | C9—C8—C13 | 121.6 (3) |
C1—O2—Na1vii | 115.6 (2) | C9—C8—O5 | 118.7 (4) |
C1—O2—Na2 | 106.9 (2) | C13—C8—O5 | 119.4 (4) |
Na1vii—O2—Na2 | 101.34 (11) | C8—C9—C10 | 119.6 (3) |
C1—O2—Na1 | 120.0 (2) | C8—C9—H9 | 120.2 |
Na1vii—O2—Na1 | 117.45 (12) | C10—C9—H9 | 120.2 |
Na2—O2—Na1 | 88.21 (10) | C9—C10—C11 | 120.2 (4) |
C14—O3—Na2viii | 154.6 (3) | C9—C10—H10 | 119.9 |
C14—O3—Na3ix | 128.3 (2) | C11—C10—H10 | 119.9 |
Na2viii—O3—Na3ix | 73.42 (10) | C12—C11—C10 | 119.4 (3) |
C14—O3—Na1x | 83.5 (2) | C12—C11—C14 | 120.1 (3) |
Na2viii—O3—Na1x | 95.35 (10) | C10—C11—C14 | 120.4 (3) |
Na3ix—O3—Na1x | 68.61 (9) | C11—C12—C13 | 120.6 (3) |
C14—O4—Na2x | 129.7 (2) | C11—C12—H12 | 119.7 |
C14—O4—Na2xi | 115.0 (2) | C13—C12—H12 | 119.7 |
Na2x—O4—Na2xi | 115.15 (12) | C8—C13—C12 | 118.6 (4) |
C14—O4—Na1x | 96.8 (2) | C8—C13—H13 | 120.7 |
Na2x—O4—Na1x | 91.23 (10) | C12—C13—H13 | 120.7 |
Na2xi—O4—Na1x | 84.93 (10) | O3—C14—O4 | 124.1 (3) |
C5—O5—C8 | 120.4 (3) | O3—C14—C11 | 118.2 (3) |
O1—C1—O2 | 123.7 (3) | O4—C14—C11 | 117.7 (3) |
O1—C1—C2 | 118.7 (3) | ||
O3iv—Na2—O2—C1 | −128.5 (2) | C3—C4—C5—O5 | −174.1 (4) |
O4iii—Na2—O2—C1 | 130.0 (2) | C3—C4—C5—C6 | 1.9 (6) |
O4v—Na2—O2—C1 | −26.9 (3) | O5—C5—C6—C7 | 173.5 (3) |
O3iv—Na2—O2—Na1vii | −7.05 (12) | C4—C5—C6—C7 | −2.2 (6) |
O4iii—Na2—O2—Na1vii | −108.56 (12) | C3—C2—C7—C6 | 0.7 (6) |
O4v—Na2—O2—Na1vii | 94.58 (14) | C1—C2—C7—C6 | −178.9 (3) |
O3iv—Na2—O2—Na1 | 110.60 (11) | C5—C6—C7—C2 | 0.9 (6) |
O4iii—Na2—O2—Na1 | 9.09 (11) | C5—O5—C8—C9 | 90.4 (5) |
O4v—Na2—O2—Na1 | −147.78 (12) | C5—O5—C8—C13 | −96.2 (5) |
O1i—Na1—O2—C1 | −19.8 (3) | C13—C8—C9—C10 | −1.9 (6) |
O2ii—Na1—O2—C1 | 114.3 (2) | O5—C8—C9—C10 | 171.3 (3) |
O4iii—Na1—O2—C1 | −117.0 (3) | C8—C9—C10—C11 | 1.3 (6) |
O3iii—Na1—O2—C1 | −164.5 (3) | C9—C10—C11—C12 | 0.7 (5) |
C14iii—Na1—O2—C1 | −138.8 (3) | C9—C10—C11—C14 | −179.5 (3) |
O1i—Na1—O2—Na1vii | −169.42 (13) | C10—C11—C12—C13 | −2.2 (5) |
O2ii—Na1—O2—Na1vii | −35.3 (2) | C14—C11—C12—C13 | 178.0 (3) |
O4iii—Na1—O2—Na1vii | 93.37 (13) | C9—C8—C13—C12 | 0.5 (6) |
O3iii—Na1—O2—Na1vii | 45.83 (14) | O5—C8—C13—C12 | −172.7 (3) |
C14iii—Na1—O2—Na1vii | 71.53 (14) | C11—C12—C13—C8 | 1.6 (6) |
O1i—Na1—O2—Na2 | 88.72 (11) | Na2viii—O3—C14—O4 | 113.0 (6) |
O2ii—Na1—O2—Na2 | −137.17 (13) | Na3ix—O3—C14—O4 | −31.9 (5) |
O4iii—Na1—O2—Na2 | −8.48 (10) | Na1x—O3—C14—O4 | 24.2 (3) |
O3iii—Na1—O2—Na2 | −56.02 (11) | Na2viii—O3—C14—C11 | −66.2 (7) |
Na1vi—O1—C1—O2 | −69.3 (5) | Na3ix—O3—C14—C11 | 148.8 (3) |
Na3vi—O1—C1—O2 | 40.8 (4) | Na1x—O3—C14—C11 | −155.1 (3) |
Na1vi—O1—C1—C2 | 111.7 (4) | Na2viii—O3—C14—Na1x | 88.8 (6) |
Na3vi—O1—C1—C2 | −138.3 (3) | Na3ix—O3—C14—Na1x | −56.1 (2) |
Na1vii—O2—C1—O1 | −88.5 (4) | Na2x—O4—C14—O3 | 70.0 (5) |
Na2—O2—C1—O1 | 23.4 (4) | Na2xi—O4—C14—O3 | −114.9 (4) |
Na1—O2—C1—O1 | 121.4 (3) | Na1x—O4—C14—O3 | −27.3 (4) |
Na1vii—O2—C1—C2 | 90.6 (3) | Na2x—O4—C14—C11 | −110.7 (3) |
Na2—O2—C1—C2 | −157.5 (2) | Na2xi—O4—C14—C11 | 64.4 (3) |
Na1—O2—C1—C2 | −59.6 (4) | Na1x—O4—C14—C11 | 152.0 (3) |
O1—C1—C2—C7 | −8.4 (5) | Na2x—O4—C14—Na1x | 97.3 (3) |
O2—C1—C2—C7 | 172.5 (3) | Na2xi—O4—C14—Na1x | −87.57 (17) |
O1—C1—C2—C3 | 172.0 (4) | C12—C11—C14—O3 | 11.6 (5) |
O2—C1—C2—C3 | −7.1 (5) | C10—C11—C14—O3 | −168.2 (3) |
C7—C2—C3—C4 | −1.0 (5) | C12—C11—C14—O4 | −167.7 (3) |
C1—C2—C3—C4 | 178.6 (3) | C10—C11—C14—O4 | 12.5 (5) |
C2—C3—C4—C5 | −0.3 (6) | C12—C11—C14—Na1x | −95.3 (6) |
C8—O5—C5—C4 | −146.1 (4) | C10—C11—C14—Na1x | 84.9 (6) |
C8—O5—C5—C6 | 37.9 (6) |
Symmetry codes: (i) x, −y+1, z−1/2; (ii) x, −y, z−1/2; (iii) x−1/2, −y+1/2, z−1/2; (iv) x−1/2, y−1/2, z; (v) x−1/2, y+1/2, z; (vi) x, −y+1, z+1/2; (vii) x, −y, z+1/2; (viii) x+1/2, y+1/2, z; (ix) x+1/2, −y+3/2, z+1/2; (x) x+1/2, −y+1/2, z+1/2; (xi) x+1/2, y−1/2, z. |
Experimental details
Crystal data | |
Chemical formula | 2Na+·C14H8O52− |
Mr | 302.18 |
Crystal system, space group | Monoclinic, Cc |
Temperature (K) | 295 |
a, b, c (Å) | 29.1091 (4), 5.7801 (1), 7.6429 (1) |
β (°) | 92.4420 (1) |
V (Å3) | 1284.78 (3) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 0.18 |
Crystal size (mm) | 0.5 × 0.4 × 0.2 |
Data collection | |
Diffractometer | Bruker SMART APEXII diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.888, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 5002, 1471, 1464 |
Rint | 0.015 |
(sin θ/λ)max (Å−1) | 0.649 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.042, 0.135, 1.27 |
No. of reflections | 1471 |
No. of parameters | 203 |
No. of restraints | 3 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.79, −0.27 |
Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2008).
Acknowledgements
We thank Beijing Normal University and the University of Malaya for supporting this study.
References
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191. CrossRef CAS Google Scholar
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Dey, A. & Desiraju, G. R. (2005). Chem. Commun. pp. 2486–2488. Web of Science CSD CrossRef Google Scholar
Potts, S., Bredenkamp, M. W. & Gertenbach, J.-A. (2007). Acta Cryst. E63, o2887. Web of Science CSD CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Westrip, S. P. (2008). publCIF. In preparation. Google Scholar
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
The crystal structure of disodium 4,4'-oxydibenzoate (Scheme I, Fig. 1) consists of alternating bands of sodium cations and 4,4'-oxydibenzoate anions. The two symmetry-independent sodium atoms over three positions. The lowest occupancy sodium atom is only weakly linked to two oxygen atoms, and probably "rattles" about in the crystal structure.